Nisbite Kjekshus A, Rakke T, Andresen A Acta Chemica Scandinavica A28 (1974) 996-1000 Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2 Locality: synthetic _database_code_amcsd 0011938 CELL PARAMETERS: 5.1823 6.3168 3.8403 90.000 90.000 90.000 SPACE GROUP: Pnnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 125.714 Density (g/cm3): 7.983 MAX. ABS. INTENSITY / VOLUME**2: 179.0923941 RIR: 7.305 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.19 5.32 4.0065 1 1 0 4 27.18 18.03 3.2815 0 1 1 4 28.94 25.72 3.0855 1 0 1 4 32.29 100.00 2.7724 1 1 1 8 33.22 74.23 2.6970 1 2 0 4 34.62 15.11 2.5912 2 0 0 2 37.52 4.90 2.3973 2 1 0 4 40.89 4.82 2.2071 1 2 1 8 44.55 49.26 2.0336 2 1 1 8 45.27 6.54 2.0033 2 2 0 4 46.56 5.72 1.9507 1 3 0 4 47.34 22.26 1.9202 0 0 2 2 49.36 32.00 1.8463 0 3 1 4 51.45 5.84 1.7761 2 2 1 8 52.62 8.26 1.7392 1 3 1 8 55.12 6.42 1.6663 3 1 0 4 58.44 2.90 1.5792 0 4 0 2 58.60 1.08 1.5754 3 0 1 4 59.06 24.26 1.5642 1 2 2 8 59.96 5.33 1.5427 2 0 2 4 60.58 9.96 1.5286 3 1 1 8 61.15 7.75 1.5156 3 2 0 4 61.37 1.63 1.5106 1 4 0 4 61.69 6.74 1.5036 2 3 1 8 61.91 1.93 1.4987 2 1 2 8 66.30 2.49 1.4098 3 2 1 8 67.58 3.31 1.3862 2 2 2 8 68.58 3.01 1.3684 1 3 2 8 69.74 9.26 1.3485 2 4 0 4 73.03 3.00 1.2956 4 0 0 2 74.81 1.73 1.2692 4 1 0 4 75.35 1.74 1.2614 3 3 1 8 75.55 4.28 1.2585 3 1 2 8 76.68 1.13 1.2427 1 0 3 4 78.41 2.16 1.2197 0 4 2 4 78.43 5.74 1.2194 1 1 3 8 79.94 1.43 1.2001 0 5 1 4 80.79 6.07 1.1896 3 2 2 8 80.98 1.28 1.1872 1 4 2 8 82.51 7.53 1.1691 1 5 1 8 84.72 3.77 1.1442 4 2 1 8 86.11 5.45 1.1292 2 1 3 8 87.45 4.34 1.1153 3 4 1 8 88.63 8.73 1.1035 2 4 2 8 89.63 4.47 1.0938 0 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.